Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.
Compound
| ID: | 1391 | |
|---|---|---|
| Name: | 1,3,5-trichloro-2-nitrobenzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1.3.5-Trichloro-2-nitrobenzene The representation of nitro groups was fixed | |
| Labels: | ||
| CAS: | 18708-70-8 | |
| InChi Code: | InChI=1S/C6H2Cl3NO2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.710825461 |
experimental value |
| 0.2834 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0026204 | US EPA CompTox Dashboard |